5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide

C10H14BrNO3S3 — CID 104600176

IUPAC5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NC1CCS(=O)CC1
InChIInChI=1S/C10H14BrNO3S3/c1-7-9(6-10(11)16-7)18(14,15)12-8-2-4-17(13)5-3-8/h6,8,12H,2-5H2,1H3
InChIKeyKEXACXVQNGXXSI-UHFFFAOYSA-N
MW372.33 g/mol
LogP2.01
Rot. Bonds3

About 5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide

5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide (PubChem CID 104600176) has the molecular formula C10H14BrNO3S3 and a molecular weight of 372.33 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide
PubChem CID104600176
Molecular FormulaC10H14BrNO3S3
Molecular Weight372.33 g/mol
Exact Mass370.93
IUPAC Name5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NC1CCS(=O)CC1
InChIInChI=1S/C10H14BrNO3S3/c1-7-9(6-10(11)16-7)18(14,15)12-8-2-4-17(13)5-3-8/h6,8,12H,2-5H2,1H3
InChIKeyKEXACXVQNGXXSI-UHFFFAOYSA-N
XLogP2.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-methoxypropyl)-2-methylthiophene-3-sulfonamide
CID 71683372
N-(2-aminoethyl)-5-bromo-2-methylthiophene-3-sulfonamide
CID 80226437
N-(3-aminopropyl)-5-bromo-2-methylthiophene-3-sulfonamide
CID 80226602
N-(2-aminoethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 84586516
N-(3-aminopropyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 84586519
5-bromo-N-[2-(phenylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 1815768
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-4-fluorobenzenesulfonamide
CID 8813976
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-fluorobenzenesulfonamide
CID 8813984
5-bromo-N-[3-(4-fluorophenyl)sulfanylpropyl]thiophene-2-sulfonamide
CID 26942900
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-3,4-difluorobenzenesulfonamide
CID 28535508
5-bromo-2-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 80226611
5-bromo-2-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 80234486

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide (CID 104600176) is 5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NC1CCS(=O)CC1.
What is the InChIKey of 5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide?
The InChIKey is KEXACXVQNGXXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S3/c1-7-9(6-10(11)16-7)18(14,15)12-8-2-4-17(13)5-3-8/h6,8,12H,2-5H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide has a molecular weight of 372.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 104600176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).